Molecular imaging of paper cross sections by FT-IR spectroscopy and principal component analysis

2013 ◽  
Vol 405 (16) ◽  
pp. 5421-5430 ◽  
Author(s):  
S. Genest ◽  
R. Salzer ◽  
G. Steiner
Keyword(s):  
Principal Component Analysis ◽  
Molecular Imaging ◽  
Ir Spectroscopy ◽  
Cross Sections ◽  
Principal Component ◽  
Component Analysis ◽  
Ft Ir ◽  
Ft Ir Spectroscopy

PHARMACEUTICAL FORMULATION MANUFACTURER DISCRIMINATION BY INFRARED SPECTROSCOPY AND PRINCIPAL COMPONENT ANALYSIS

2019 ◽  
pp. 7-15
Author(s):  
E.M. Basova ◽  
Yu.N. Litvinenko ◽  
N.А. Polotnyanko
Keyword(s):  
Principal Component Analysis ◽  
Infrared Spectroscopy ◽  
Ir Spectroscopy ◽  
Principal Component ◽  
Component Analysis ◽  
Active Pharmaceutical Ingredients ◽  
Pharmaceutical Ingredients ◽  
The Third ◽  
Chemometric Technique ◽  
Tablet Formulations

In the present work Fournier transform infrared (IR) spectroscopy in association with chemometric technique was employed to identify kind of tablet formulations containing paracetamol and/or caffeine as active pharmaceutical ingredients. 13 samples of 5 commercially available brand tablets of different manufacturers and batches were bayed in local pharmacies. IR spectra of samples were recorded in the range 600—4000 cm-1 and subjected to and principal component analysis (PCA) which allowed to clearly identify 5 clusters in the scores plot using the third and the second principal components, corresponding to the brands of tablets. For Paracetamol and Caffeine-sodium benzoate tablets the combination of IR spectroscopy and PCA was able to recognize the manufacturer on the basis of distance between samples in clusters in the PCA scores plot.

Study of the synthesis mechanism of 4-amino-3,5-dimethyl pyrazole by fibre optic in-line FT-IR spectroscopy combined with independent component analysis

2014 ◽  
Vol 6 (12) ◽  
pp. 4305-4311 ◽  
Author(s):  
Jiguang Li ◽  
Jun Gao ◽  
Hua Li ◽  
Xiaofeng Yang ◽  
Yu Liu
Keyword(s):  
Ir Spectroscopy ◽  
Independent Component Analysis ◽  
Component Analysis ◽  
Independent Component ◽  
Fibre Optic ◽  
Synthesis Mechanism ◽  
Ft Ir ◽  
Ica Algorithm ◽  
Ft Ir Spectroscopy

The synthesis mechanism of 4-amino-3,5-dimethyl pyrazole was investigated using in-line FT-IR spectroscopy combined with a Fast-ICA algorithm.

scholarly journals ANALISIS ADULTERAN PADA KOPI LUWAK DENGAN METODE Fourier Transform Infrared (FTIR)

2021 ◽  
Vol 6 (1) ◽  
pp. 26
Author(s):  
Ivan Andriansyah ◽  
Hilman Nur Mukhlis Wijaya ◽  
Purwaniati Purwaniati
Keyword(s):  
Principal Component Analysis ◽  
Fourier Transform ◽  
Principal Component ◽  
Fourier Transform Infrared ◽  
Component Analysis ◽  
Ft Ir

Kopi merupakan bahan minuman yang sangat terkenal bukan hanya di Indonesia melainkan di seluruh dunia, jenis yang sering dijumpai yaitu arabika dan robusta. Tingginya harga dan permintaan kopi banyak produsen memalsukan atau mencampur kopi dengan bahan lain. Adulterasi adalah upaya menambah atau mengganti bahan makanan dengan tujuan memperoleh, sehingga memberikan dampak buruk pada konsumen. Tujuan dari jurnal ini adalah untuk mengetahui ada atau tidaknya adulteran pada kopi luwak yang beredar dipasaran. Metode analisis FTIR digunakan untuk membuat pola sidik jari dari ekstrak kopi melalui analisis kemometrik dengan metode Principal Component Analysis (PCA). Ekstraksi dilakukan dengan cara maserasi menggunakan pelarut etanol 96%. Pengukuran spektrum inframerah menggunakan alat FT-IR, pada bilangan gelombang 4000-650cm-1 dan resolusi 4 cm-1. Klasifikasi dari kopi yang diadulteran dengan arabika dan kopi luwak menggunakan data PC-1 dan PC-2 dengan nilai berturut-turut 82% dan 14%. Hasil menunjukkan nilai scores menggunakan PC-1 dan PC-2 sampel kopi A berada dekat kuadran kopi luwak, sampel kopi B berada di antara kuadran kopi arabika (adulteran) dan luwak, dan kopi sampel C berada dekat kuadran arabika (adulteran). Metode FTIR dapat mendeteksi dengan batas deteksi 15% (b/b)

scholarly journals Multivariate Analysis of Water Quality Measurements on the Danube River

Water ◽  
2021 ◽  
Vol 13 (24) ◽  
pp. 3634
Author(s):  
Zoltan Horvat ◽  
Mirjana Horvat ◽  
Kristian Pastor ◽  
Vojislava Bursić ◽  
Nikola Puvača
Keyword(s):  
Water Quality ◽  
Principal Component Analysis ◽  
Multivariate Analysis ◽  
Cross Sections ◽  
Principal Component ◽  
Component Analysis ◽  
Danube River ◽  
Quality Data ◽  
Water Quality Data ◽  
The Danube River

This study investigates the potential of using principal component analysis and other multivariate analysis techniques to evaluate water quality data gathered from natural watercourses. With this goal in mind, a comprehensive water quality data set was used for the analysis, gathered on a reach of the Danube River in 2011. The considered measurements included physical, chemical, and biological parameters. The data were collected within seven data ranges (cross-sections) of the Danube River. Each cross-section had five verticals, each of which had five sampling points distributed over the water column. The gathered water quality data was then subjected to several multivariate analysis techniques. However, the most attention was attributed to the principal component analysis since it can provide an insight into possible grouping tendencies within verticals, cross-sections, or the entire considered reach. It has been concluded that there is no stratification in any of the analyzed water columns. However, there was an unambiguous clustering of sampling points with respect to their cross-sections. Even though one can attribute these phenomena to the unsteady flow in rivers, additional considerations suggest that the position of a cross-section can have a significant impact on the measured water quality parameters. Furthermore, the presented results indicate that these measurements, combined with several multivariate analysis methods, especially the principal component analysis, may be a promising approach for investigating the water quality tendencies of alluvial rivers.

Monitoring the Progress and Healing Status of Burn Wounds Using Infrared Spectroscopy

2020 ◽  
Vol 74 (7) ◽  
pp. 758-766
Author(s):  
Pedro A.A. Castro ◽  
Cassio A. Lima ◽  
Mychel R.P.T. Morais ◽  
Telma M.T. Zorn ◽  
Denise M. Zezell
Keyword(s):  
Ir Spectroscopy ◽  
Wound Repair ◽  
Molecular Mechanisms ◽  
Pairwise Comparison ◽  
Principal Component ◽  
Traumatic Injuries ◽  
Burn Wounds ◽  
Ft Ir ◽  
Tissue Recovery ◽  
Ft Ir Spectroscopy

Burns are one of the leading causes of morbidity worldwide and the most costly traumatic injuries. A better understanding of the molecular mechanisms in wound healing is required to accelerate tissue recovery and reduce the health economic impact. However, the standard techniques used to evaluate the biological events associated to wound repair are laborious, time-consuming, and/or require multiple assays/staining. Therefore, this study aims to evaluate the feasibility of Fourier transform infrared (FT-IR) spectroscopy to monitor the progress and healing status of burn wounds. Burn injuries were induced on Wistar rats by water vapor exposure and biopsied for further histopathological and spectroscopic evaluation at four time-points (3, 7, 14, and 21 days). Spectral data were preprocessed and compared by principal component analysis. Pairwise comparison of post-burn groups to each other revealed that metabolic activity induced by thermal injury decreases as the healing progresses. Higher amounts of carbohydrates, proteins, lipids, and nucleic acids were evidenced on days 3 and 7 compared to healthy skin and reduced amounts of these molecular structural units on days 14 and 21 post-burn. FT-IR spectroscopy was used to determine the healing status of a wound based on the biochemical information retained by spectral signatures in each phase of healing. Our findings demonstrate that FT-IR spectroscopy can monitor the biological events triggered by burn trauma as well as to detect the wound status including full recovery based on the spectral changes associated to the biochemical events in each phase.

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